1,2,3,4,5-Pentaphenyl-1'-(di-tert-butylphosphino)ferrocene
CAS #: 312959-24-3
Product Code : E-P-A56-CU-CU
CAS #: 312959-24-3
Linear Formula: (C6H5)5C5]Fe[C5H4(P(C4H9)2)
MDL Number: MFCD03788940
EC No.: 636-539-9
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Synonyms
QPhos, CTC-Q-PHOS, 1,2,3,4,5-Pentaphenyl-1'-(di-t-butylphosphino)ferrocene, Ferrocene, 1'-[bis(1,1-dimethylethyl)phosphino]-1,2,3,4,5-pentaphenyl-, BOBUBHOXRCYKLI-UHFFFAOYSA-N
Compound Formula: C48H47FeP
Molecular Weight: 710.71
Appearance: Orange to brown powder or crystals
Melting Point: 211-219 °C
Boiling Point: N/A
Density: N/A
Solubility in H2O: Insoluble
Exact Mass: 710.276474 g/mol
Monoisotopic Mass: 710.276474 g/mol
Sensitivity: Air sensitive; store under argon
Storage Temperature: Room temperature
Health & Safety Information
Signal Word: Warning
Hazard Statements: H315-H319
Hazard Codes: Xi
Precautionary Statements: P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P362-P501
Risk Codes: N/A
Safety Statements: N/A
Harmonized Tariff Code: 2931.39
Transport Information: NONH for all modes of transport
WGK Germany: 3
GHS Pictogram: Image
Chemical Identifiers
Linear Formula: (C6H5)5C5]Fe[C5H4(P(C4H9)2)
Pubchem CID: 72376408
MDL Number: MFCD03788940
EC No.: 636-539-9
IUPAC Name: ditert-butyl(cyclopenta-1,4-dien-1-yl)phosphane; iron(2+); (2,3,4,5-tetraphenylcyclopentyl)benzene
Beilstein/Reaxys No.: 14399016
SMILES: CC(C)(C)P([C]1[CH][CH][CH][CH]1)C(C)(C)C.C1=CC=C(C=C1)[C]2[C]([C]([C]([C]2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6.[Fe]
InchI Identifier: InChI=1S/C35H25.C13H22P.Fe/c1-6-16-26(17-7-1)31-32(27-18-8-2-9-19-27)34(29-22-12-4-13-23-29)35(30-24-14-5-15-25-30)33(31)28-20-10-3-11-21-28;1-12(2,3)14(13(4,5)6)11-9-7-8-10-11;/h1-25H;7-10H,1-6H3;
InchI Key: YOQRDWPCPFCDLP-UHFFFAOYSA-N
